oxolan-2-one;hydrate;hydrochloride

C4H9ClO3 — CID 174376382

IUPACoxolan-2-one;hydrate;hydrochloride
SMILESCl.O.O=C1CCCO1
InChIInChI=1S/C4H6O2.ClH.H2O/c5-4-2-1-3-6-4;;/h1-3H2;1H;1H2
InChIKeyBXJZDKOFBCKXAM-UHFFFAOYSA-N
MW140.57 g/mol
LogP-0.08
Rot. Bonds

About oxolan-2-one;hydrate;hydrochloride

oxolan-2-one;hydrate;hydrochloride (PubChem CID 174376382) has the molecular formula C4H9ClO3 and a molecular weight of 140.57 g/mol. Its IUPAC name is oxolan-2-one;hydrate;hydrochloride.

Molecular Properties

Compound Nameoxolan-2-one;hydrate;hydrochloride
PubChem CID174376382
Molecular FormulaC4H9ClO3
Molecular Weight140.57 g/mol
Exact Mass140.02
IUPAC Nameoxolan-2-one;hydrate;hydrochloride
SMILESCl.O.O=C1CCCO1
InChIInChI=1S/C4H6O2.ClH.H2O/c5-4-2-1-3-6-4;;/h1-3H2;1H;1H2
InChIKeyBXJZDKOFBCKXAM-UHFFFAOYSA-N
XLogP-0.08
TPSA57.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(213C)oxolan-2-one
CID 175700736
oxolan-2-one;yttrium
CID 157257098
oxolan-2-one;silver
CID 175854718
oxolan-2-one;propane
CID 91446607
oxane-2,6-dione;oxolan-2-one
CID 87464853
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
oxolan-2-one;1,1,2,2-tetrachloroethene
CID 87987931
methylsulfinylmethane;oxolan-2-one
CID 18353886
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
guanidine;oxolan-2-one
CID 159762492

Frequently Asked Questions

What is the IUPAC name of oxolan-2-one;hydrate;hydrochloride?
The IUPAC name of oxolan-2-one;hydrate;hydrochloride (CID 174376382) is oxolan-2-one;hydrate;hydrochloride.
What is the SMILES notation for oxolan-2-one;hydrate;hydrochloride?
The canonical SMILES for oxolan-2-one;hydrate;hydrochloride is Cl.O.O=C1CCCO1.
What is the InChIKey of oxolan-2-one;hydrate;hydrochloride?
The InChIKey is BXJZDKOFBCKXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.ClH.H2O/c5-4-2-1-3-6-4;;/h1-3H2;1H;1H2.
What are the key properties of oxolan-2-one;hydrate;hydrochloride?
oxolan-2-one;hydrate;hydrochloride has a molecular weight of 140.57 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-one;hydrate;hydrochloride is sourced from PubChem (CID 174376382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).